5-[2-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one

C21H13F3N4O — CID 122654378

IUPAC5-[2-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-n3c(-c4ccccc4)nc4ccc(C(F)(F)F)nc43)ccc2N1
InChIInChI=1S/C21H13F3N4O/c22-21(23,24)17-9-8-16-20(27-17)28(19(26-16)12-4-2-1-3-5-12)14-6-7-15-13(10-14)11-18(29)25-15/h1-10H,11H2,(H,25,29)
InChIKeyMMJWHFJBTWTDAL-UHFFFAOYSA-N
MW394.36 g/mol
LogP4.60
Rot. Bonds2

About 5-[2-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one

5-[2-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 122654378) has the molecular formula C21H13F3N4O and a molecular weight of 394.36 g/mol. Its IUPAC name is 5-[2-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one
PubChem CID122654378
Molecular FormulaC21H13F3N4O
Molecular Weight394.36 g/mol
Exact Mass394.10
IUPAC Name5-[2-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-n3c(-c4ccccc4)nc4ccc(C(F)(F)F)nc43)ccc2N1
InChIInChI=1S/C21H13F3N4O/c22-21(23,24)17-9-8-16-20(27-17)28(19(26-16)12-4-2-1-3-5-12)14-6-7-15-13(10-14)11-18(29)25-15/h1-10H,11H2,(H,25,29)
InChIKeyMMJWHFJBTWTDAL-UHFFFAOYSA-N
XLogP4.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one (CID 122654378) is 5-[2-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-n3c(-c4ccccc4)nc4ccc(C(F)(F)F)nc43)ccc2N1.
What is the InChIKey of 5-[2-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is MMJWHFJBTWTDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N4O/c22-21(23,24)17-9-8-16-20(27-17)28(19(26-16)12-4-2-1-3-5-12)14-6-7-15-13(10-14)11-18(29)25-15/h1-10H,11H2,(H,25,29).
What are the key properties of 5-[2-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
5-[2-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 394.36 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122654378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).